- InChI
- InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3
- InChI Key
- CCEFMUBVSUDRLG-UHFFFAOYSA-N
- Formula
- C10H16O
- SMILES
- C=C(C)C1CCC2(C)OC2C1
- Molecular Weight1
- 152.23
- CAS
- 4959-35-7
- Other Names
-
- (E)-Limonene oxide
- 4-Isopropenyl-1-methyl-7-oxabicyclo[4.1.0]heptane-, (1«alpha»,4«beta»,6«alpha»)-
- trans-Limonene oxide
- trans-Limonene-1,2-epoxide-
- trans-Limonene epoxide
- trans-1,2-Limonene epoxide
- 7-Oxabicyclo(4.1.0)heptane, 1-methyl-4-(1-methylethenyl)-, (1R,4S,6S)-
- trans-1,2-Epoxy-p-menth-8-ene
- trans-limonene-1,2-oxide
- trans-Limonen-1,2-epoxide
- trans-Limonen oxide
- trans-1,2-limonene oxide
- trans-Limonene oxyde
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 15.99 | kJ/mol | Joback Calculated Property |
| IE | 8.93 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.520 | Crippen Calculated Property | |
| McVol | 131.610 | ml/mol | McGowan Calculated Property |
| Inp | [1106.00; 1151.00] |
|
|
| Inp | 1125.00 | NIST | |
| Inp | 1146.00 | NIST | |
| Inp | 1139.00 | NIST | |
| Inp | 1137.00 | NIST | |
| Inp | Outlier 1106.00 | NIST | |
| Inp | 1129.00 | NIST | |
| Inp | Outlier 1109.00 | NIST | |
| Inp | 1141.00 | NIST | |
| Inp | 1134.00 | NIST | |
| Inp | 1121.00 | NIST | |
| Inp | 1121.00 | NIST | |
| Inp | 1125.00 | NIST | |
| Inp | 1127.00 | NIST | |
| Inp | 1127.00 | NIST | |
| Inp | 1139.00 | NIST | |
| Inp | 1121.00 | NIST | |
| Inp | 1147.00 | NIST | |
| Inp | 1140.00 | NIST | |
| Inp | 1138.00 | NIST | |
| Inp | 1127.00 | NIST | |
| Inp | 1139.00 | NIST | |
| Inp | 1120.00 | NIST | |
| Inp | 1120.00 | NIST | |
| Inp | 1134.00 | NIST | |
| Inp | 1120.00 | NIST | |
| Inp | 1143.00 | NIST | |
| Inp | 1143.00 | NIST | |
| Inp | 1127.00 | NIST | |
| Inp | 1127.00 | NIST | |
| Inp | 1122.00 | NIST | |
| Inp | 1125.00 | NIST | |
| Inp | 1125.00 | NIST | |
| Inp | 1139.00 | NIST | |
| Inp | 1149.00 | NIST | |
| Inp | 1138.00 | NIST | |
| Inp | Outlier 1151.00 | NIST | |
| Inp | 1127.00 | NIST | |
| Inp | 1112.00 | NIST | |
| Inp | 1138.00 | NIST | |
| Inp | 1121.00 | NIST | |
| Inp | 1139.00 | NIST | |
| Inp | 1121.00 | NIST | |
| Inp | 1125.00 | NIST | |
| Inp | 1122.00 | NIST | |
| Inp | 1125.00 | NIST | |
| Inp | 1142.00 | NIST | |
| Inp | 1138.00 | NIST | |
| Inp | 1139.00 | NIST | |
| Inp | 1124.00 | NIST | |
| Inp | 1126.00 | NIST | |
| Inp | 1125.00 | NIST | |
| Inp | 1142.00 | NIST | |
| Inp | 1136.00 | NIST | |
| Inp | 1133.00 | NIST | |
| Inp | 1125.00 | NIST | |
| Inp | 1125.00 | NIST | |
| Inp | 1137.00 | NIST | |
| Inp | 1125.00 | NIST | |
| Inp | 1125.00 | NIST | |
| Inp | 1123.00 | NIST | |
| Inp | 1112.00 | NIST | |
| Inp | 1139.00 | NIST | |
| Inp | 1147.00 | NIST | |
| Inp | 1138.00 | NIST | |
| Inp | 1137.00 | NIST | |
| Inp | 1123.00 | NIST | |
| Inp | 1125.00 | NIST | |
| Inp | 1129.00 | NIST | |
| Inp | Outlier 1151.00 | NIST | |
| Inp | 1139.00 | NIST | |
| Inp | 1142.00 | NIST | |
| Inp | 1125.00 | NIST | |
| I | [1420.00; 1482.00] |
|
|
| I | 1459.00 | NIST | |
| I | 1462.00 | NIST | |
| I | 1439.00 | NIST | |
| I | 1439.00 | NIST | |
| I | Outlier 1420.00 | NIST | |
| I | Outlier 1423.00 | NIST | |
| I | 1480.00 | NIST | |
| I | 1439.00 | NIST | |
| I | Outlier 1423.00 | NIST | |
| I | 1466.00 | NIST | |
| I | 1451.00 | NIST | |
| I | 1441.00 | NIST | |
| I | 1451.00 | NIST | |
| I | Outlier 1423.00 | NIST | |
| I | 1453.00 | NIST | |
| I | 1451.00 | NIST | |
| I | 1467.00 | NIST | |
| I | 1458.00 | NIST | |
| I | 1470.00 | NIST | |
| I | 1462.00 | NIST | |
| I | 1463.00 | NIST | |
| I | 1465.00 | NIST | |
| I | 1481.00 | NIST | |
| I | 1465.00 | NIST | |
| I | 1472.00 | NIST | |
| I | 1482.00 | NIST | |
| I | 1437.00 | NIST | |
| I | 1458.00 | NIST | |
| I | 1472.00 | NIST | |
| I | 1442.00 | NIST | |
| I | 1468.00 | NIST | |
| I | 1468.00 | NIST | |
| I | 1468.00 | NIST | |
| I | 1468.00 | NIST | |
| I | 1468.00 | NIST | |
| I | 1461.00 | NIST | |
| I | 1468.00 | NIST | |
| I | 1468.00 | NIST | |
| I | 1468.00 | NIST | |
| I | 1467.00 | NIST | |
| Tfus | 228.88 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [303.67; 396.99] | J/mol×K | [465.23; 679.06] |
|
| Cp,gas | 303.67 | J/mol×K | 465.23 | Joback Calculated Property |
| Cp,gas | 322.31 | J/mol×K | 500.87 | Joback Calculated Property |
| Cp,gas | 339.52 | J/mol×K | 536.51 | Joback Calculated Property |
| Cp,gas | 355.44 | J/mol×K | 572.14 | Joback Calculated Property |
| Cp,gas | 370.22 | J/mol×K | 607.78 | Joback Calculated Property |
| Cp,gas | 384.02 | J/mol×K | 643.42 | Joback Calculated Property |
| Cp,gas | 396.99 | J/mol×K | 679.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Limonene oxide, trans-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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